3-azanyl-4-oxidanylidene-5-[4-(8-phenyloctoxy)phenyl]carbonyl-chromene-2-carbothioamide

Systemtic Name: 3-azanyl-4-oxidanylidene-5-[4-(8-phenyloctoxy)phenyl]carbonyl-chromene-2-carbothioamide Openeye Name: 3-amino-4-oxo-5-[4-(8-phenyloctoxy)benzoyl]chromene-2-carbothioamide CAS Name: 3-amino-4-oxo-5-[oxo-[4-(8-phenyloctoxy)phenyl]methyl]-1-benzopyran-2-carbothioamide IUPAC Name: 3-amino-4-oxo-5-[4-(8-phenyloctoxy)benzoyl]chromene-2-carbothioamide Traditional Name: 3-amino-4-keto-5-[4-(8-phenyloctoxy)benzoyl]chromene-2-carbothioamide Formula: C31H32N2O4S MolecularWeight: 528.66178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCOC2=CC=C(C=C2)C(=O)C3=C4C(=CC=C3)OC(=C(C4=O)N)C(=S)N

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCOC2=CC=C(C=C2)C(=O)C3=C4C(=CC=C3)OC(=C(C4=O)N)C(=S)N

InChI

InChI=1S/C31H32N2O4S/c32-27-29(35)26-24(14-10-15-25(26)37-30(27)31(33)38)28(34)22-16-18-23(19-17-22)36-20-9-4-2-1-3-6-11-21-12-7-5-8-13-21/h5,7-8,10,12-19H,1-4,6,9,11,20,32H2,(H2,33,38)