N2,N5-bis[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-3,4-diheptoxy-thiophene-2,5-dicarboxamide

Systemtic Name: N2,N5-bis[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-3,4-diheptoxy-thiophene-2,5-dicarboxamide Openeye Name: N2,N5-bis[(E)-(9-ethylcarbazol-3-yl)methyleneamino]-3,4-diheptoxy-thiophene-2,5-dicarboxamide CAS Name: N2,N5-bis[(E)-(9-ethyl-3-carbazolyl)methylideneamino]-3,4-diheptoxythiophene-2,5-dicarboxamide IUPAC Name: 2-N,5-N-bis[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-3,4-diheptoxythiophene-2,5-dicarboxamide Traditional Name: N,N'-bis[(E)-(9-ethylcarbazol-3-yl)methyleneamino]-3,4-diheptoxy-thiophene-2,5-dicarboxamide Formula: C50H58N6O4S MolecularWeight: 839.09832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(SC(=C1OCCCCCCC)C(=O)NN=CC2=CC3=C(C=C2)N(C4=CC=CC=C43)CC)C(=O)NN=CC5=CC6=C(C=C5)N(C7=CC=CC=C76)CC

Isomeric SMILES

CCCCCCCOC1=C(SC(=C1OCCCCCCC)C(=O)N/N=C/C2=CC3=C(N(C4=CC=CC=C34)CC)C=C2)C(=O)N/N=C/C5=CC6=C(N(C7=CC=CC=C67)CC)C=C5

InChI

InChI=1S/C50H58N6O4S/c1-5-9-11-13-19-29-59-45-46(60-30-20-14-12-10-6-2)48(50(58)54-52-34-36-26-28-44-40(32-36)38-22-16-18-24-42(38)56(44)8-4)61-47(45)49(57)53-51-33-35-25-27-43-39(31-35)37-21-15-17-23-41(37)55(43)7-3/h15-18,21-28,31-34H,5-14,19-20,29-30H2,1-4H3,(H,53,57)(H,54,58)/b51-33+,52-34+