N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(2-nitrophenyl)amino]propanamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(2-nitrophenyl)amino]propanamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(2-nitroanilino)propanamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(2-nitroanilino)propanamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(2-nitroanilino)propanamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(2-nitroanilino)propionamide Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CCNC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CCNC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C18H18N4O3S/c1-11-9-12(2)17-15(10-11)26-18(21-17)20-16(23)7-8-19-13-5-3-4-6-14(13)22(24)25/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,21,23)