3-methyl-7-phenylazanyl-5-(propan-2-ylamino)-1,4-thiazepine-6-carbonitrile

Systemtic Name: 3-methyl-7-phenylazanyl-5-(propan-2-ylamino)-1,4-thiazepine-6-carbonitrile Openeye Name: 7-anilino-5-(isopropylamino)-3-methyl-1,4-thiazepine-6-carbonitrile CAS Name: 7-anilino-3-methyl-5-(propan-2-ylamino)-1,4-thiazepine-6-carbonitrile IUPAC Name: 7-anilino-3-methyl-5-(propan-2-ylamino)-1,4-thiazepine-6-carbonitrile Traditional Name: 7-anilino-5-(isopropylamino)-3-methyl-1,4-thiazepine-6-carbonitrile Formula: C16H18N4S MolecularWeight: 298.40592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C(C(=N1)NC(C)C)C#N)NC2=CC=CC=C2

Isomeric SMILES

CC1=CSC(=C(C(=N1)NC(C)C)C#N)NC2=CC=CC=C2

InChI

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