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

Systemtic Name: 3-methyl-7-phenylazanyl-5-(propylamino)-1,4-thiazepine-6-carbonitrile Openeye Name: 7-anilino-3-methyl-5-(propylamino)-1,4-thiazepine-6-carbonitrile CAS Name: 7-anilino-3-methyl-5-(propylamino)-1,4-thiazepine-6-carbonitrile IUPAC Name: 7-anilino-3-methyl-5-(propylamino)-1,4-thiazepine-6-carbonitrile Traditional Name: 7-anilino-3-methyl-5-(propylamino)-1,4-thiazepine-6-carbonitrile Formula: C16H18N4S MolecularWeight: 298.40592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4S/c1-3-9-18-15-14(10-17)16(21-11-12(2)19-15)20-13-7-5-4-6-8-13/h4-8,11,20H,3,9H2,1-2H3,(H,18,19)