N-[3-[(4-methyl-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-[(4-methyl-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[benzyl-(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[(4-methyl-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[benzyl-(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-[benzyl-(4-methyl-1,3-benzothiazol-2-yl)amino]-3-keto-propyl]-4-nitro-benzamide Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O4S/c1-17-6-5-9-21-23(17)27-25(34-21)28(16-18-7-3-2-4-8-18)22(30)14-15-26-24(31)19-10-12-20(13-11-19)29(32)33/h2-13H,14-16H2,1H3,(H,26,31)