N2,N5-bis[(Z)-(9-dodecylcarbazol-3-yl)methylideneamino]-3,4-dipropoxy-thiophene-2,5-dicarboxamide

Systemtic Name: N2,N5-bis[(Z)-(9-dodecylcarbazol-3-yl)methylideneamino]-3,4-dipropoxy-thiophene-2,5-dicarboxamide Openeye Name: N2,N5-bis[(Z)-(9-dodecylcarbazol-3-yl)methyleneamino]-3,4-dipropoxy-thiophene-2,5-dicarboxamide CAS Name: N2,N5-bis[(Z)-(9-dodecyl-3-carbazolyl)methylideneamino]-3,4-dipropoxythiophene-2,5-dicarboxamide IUPAC Name: 2-N,5-N-bis[(Z)-(9-dodecylcarbazol-3-yl)methylideneamino]-3,4-dipropoxythiophene-2,5-dicarboxamide Traditional Name: N,N'-bis[(Z)-(9-laurylcarbazol-3-yl)methyleneamino]-3,4-dipropoxy-thiophene-2,5-dicarboxamide Formula: C62H82N6O4S MolecularWeight: 1007.41728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=C(C=C(C=C2)C=NNC(=O)C3=C(C(=C(S3)C(=O)NN=CC4=CC5=C(C=C4)N(C6=CC=CC=C65)CCCCCCCCCCCC)OCCC)OCCC)C7=CC=CC=C71

Isomeric SMILES

CCCCCCCCCCCCN1C2=CC=CC=C2C3=C1C=CC(=C3)/C=N\NC(=O)C4=C(C(=C(S4)C(=O)N/N=C\C5=CC6=C(N(C7=CC=CC=C67)CCCCCCCCCCCC)C=C5)OCCC)OCCC

InChI

InChI=1S/C62H82N6O4S/c1-5-9-11-13-15-17-19-21-23-29-39-67-53-33-27-25-31-49(53)51-43-47(35-37-55(51)67)45-63-65-61(69)59-57(71-41-7-3)58(72-42-8-4)60(73-59)62(70)66-64-46-48-36-38-56-52(44-48)50-32-26-28-34-54(50)68(56)40-30-24-22-20-18-16-14-12-10-6-2/h25-28,31-38,43-46H,5-24,29-30,39-42H2,1-4H3,(H,65,69)(H,66,70)/b63-45-,64-46-