1,3-diethanoyl-2-phenyl-5-phenylimino-[1,4]thiazepino[5,6-b]indolizine-11-carbonitrile

Systemtic Name: 1,3-diethanoyl-2-phenyl-5-phenylimino-[1,4]thiazepino[5,6-b]indolizine-11-carbonitrile Openeye Name: 1,3-diacetyl-2-phenyl-5-phenylimino-[1,4]thiazepino[5,6-b]indolizine-11-carbonitrile CAS Name: 1,3-diacetyl-2-phenyl-5-phenylimino-[1,4]thiazepino[5,6-b]indolizine-11-carbonitrile IUPAC Name: 1,3-diacetyl-2-phenyl-5-phenylimino-[1,4]thiazepino[5,6-b]indolizine-11-carbonitrile Traditional Name: 1,3-diacetyl-2-phenyl-5-phenylimino-[1,4]thiazepin[5,6-b]indolizine-11-carbonitrile Formula: C28H20N4O2S MolecularWeight: 476.549

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N(C2=C(C(=NC3=CC=CC=C3)S1)N4C=CC=CC4=C2C#N)C(=O)C)C5=CC=CC=C5

Isomeric SMILES

CC(=O)C1=C(N(C2=C(C(=NC3=CC=CC=C3)S1)N4C=CC=CC4=C2C#N)C(=O)C)C5=CC=CC=C5

InChI

InChI=1S/C28H20N4O2S/c1-18(33)27-24(20-11-5-3-6-12-20)32(19(2)34)25-22(17-29)23-15-9-10-16-31(23)26(25)28(35-27)30-21-13-7-4-8-14-21/h3-16H,1-2H3