N-[3-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-3-keto-propyl]-4-nitro-benzamide Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O4S/c1-11-9-12(2)17-15(10-11)28-19(22-17)21-16(24)7-8-20-18(25)13-3-5-14(6-4-13)23(26)27/h3-6,9-10H,7-8H2,1-2H3,(H,20,25)(H,21,22,24)