3-nitro-4-[(phenylmethyl)amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 3-nitro-4-[(phenylmethyl)amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-(benzylamino)-3-nitro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide CAS Name: 3-nitro-4-[(phenylmethyl)amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-(benzylamino)-3-nitro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-(benzylamino)-3-nitro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)NCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)NCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O3S/c26-20(24-21-23-17-8-4-5-9-19(17)29-21)15-10-11-16(18(12-15)25(27)28)22-13-14-6-2-1-3-7-14/h1-3,6-7,10-12,22H,4-5,8-9,13H2,(H,23,24,26)