3-phenyl-7-phenylazanyl-5-[(phenylmethyl)amino]-1,4-thiazepine-6-carbonitrile

Systemtic Name: 3-phenyl-7-phenylazanyl-5-[(phenylmethyl)amino]-1,4-thiazepine-6-carbonitrile Openeye Name: 7-anilino-5-(benzylamino)-3-phenyl-1,4-thiazepine-6-carbonitrile CAS Name: 7-anilino-3-phenyl-5-[(phenylmethyl)amino]-1,4-thiazepine-6-carbonitrile IUPAC Name: 7-anilino-5-(benzylamino)-3-phenyl-1,4-thiazepine-6-carbonitrile Traditional Name: 7-anilino-5-(benzylamino)-3-phenyl-1,4-thiazepine-6-carbonitrile Formula: C25H20N4S MolecularWeight: 408.5181

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=CSC(=C2C#N)NC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=CSC(=C2C#N)NC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H20N4S/c26-16-22-24(27-17-19-10-4-1-5-11-19)29-23(20-12-6-2-7-13-20)18-30-25(22)28-21-14-8-3-9-15-21/h1-15,18,28H,17H2,(H,27,29)