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

Systemtic Name: 3-methyl-7-phenylazanyl-5-[(phenylmethyl)amino]-1,4-thiazepine-6-carbonitrile Openeye Name: 7-anilino-5-(benzylamino)-3-methyl-1,4-thiazepine-6-carbonitrile CAS Name: 7-anilino-3-methyl-5-[(phenylmethyl)amino]-1,4-thiazepine-6-carbonitrile IUPAC Name: 7-anilino-5-(benzylamino)-3-methyl-1,4-thiazepine-6-carbonitrile Traditional Name: 7-anilino-5-(benzylamino)-3-methyl-1,4-thiazepine-6-carbonitrile Formula: C20H18N4S MolecularWeight: 346.44872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C(C(=N1)NCC2=CC=CC=C2)C#N)NC3=CC=CC=C3

Isomeric SMILES

CC1=CSC(=C(C(=N1)NCC2=CC=CC=C2)C#N)NC3=CC=CC=C3

InChI

InChI=1S/C20H18N4S/c1-15-14-25-20(24-17-10-6-3-7-11-17)18(12-21)19(23-15)22-13-16-8-4-2-5-9-16/h2-11,14,24H,13H2,1H3,(H,22,23)