6-nitro-1-oxidanylidene-2-(phenylmethyl)-4-[(phenylmethyl)amino]-1,2-benzothiazol-3-one

Systemtic Name: 6-nitro-1-oxidanylidene-2-(phenylmethyl)-4-[(phenylmethyl)amino]-1,2-benzothiazol-3-one Openeye Name: 2-benzyl-4-(benzylamino)-6-nitro-1-oxo-1,2-benzothiazol-3-one CAS Name: 6-nitro-1-oxo-2-(phenylmethyl)-4-[(phenylmethyl)amino]-1,2-benzothiazol-3-one IUPAC Name: 2-benzyl-4-(benzylamino)-6-nitro-1-oxo-1,2-benzothiazol-3-one Traditional Name: 2-benzyl-4-(benzylamino)-1-keto-6-nitro-1,2-benzothiazol-3-one Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=CC(=CC3=C2C(=O)N(S3=O)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=CC(=CC3=C2C(=O)N(S3=O)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O4S/c25-21-20-18(22-13-15-7-3-1-4-8-15)11-17(24(26)27)12-19(20)29(28)23(21)14-16-9-5-2-6-10-16/h1-12,22H,13-14H2