3-phenyl-7-phenylazanyl-5-(propylamino)-1,4-thiazepine-6-carbonitrile

Systemtic Name: 3-phenyl-7-phenylazanyl-5-(propylamino)-1,4-thiazepine-6-carbonitrile Openeye Name: 7-anilino-3-phenyl-5-(propylamino)-1,4-thiazepine-6-carbonitrile CAS Name: 7-anilino-3-phenyl-5-(propylamino)-1,4-thiazepine-6-carbonitrile IUPAC Name: 7-anilino-3-phenyl-5-(propylamino)-1,4-thiazepine-6-carbonitrile Traditional Name: 7-anilino-3-phenyl-5-(propylamino)-1,4-thiazepine-6-carbonitrile Formula: C21H20N4S MolecularWeight: 360.4753

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC(=CSC(=C1C#N)NC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCNC1=NC(=CSC(=C1C#N)NC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H20N4S/c1-2-13-23-20-18(14-22)21(24-17-11-7-4-8-12-17)26-15-19(25-20)16-9-5-3-6-10-16/h3-12,15,24H,2,13H2,1H3,(H,23,25)