4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-N-phenethyl-benzamide

Systemtic Name: 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-N-phenethyl-benzamide Openeye Name: 4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-N-phenethyl-benzamide CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-3-nitro-N-phenethylbenzamide IUPAC Name: 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-N-phenethylbenzamide Traditional Name: 4-[(4-methylthiazol-2-yl)thio]-3-nitro-N-phenethyl-benzamide Formula: C19H17N3O3S2 MolecularWeight: 399.48658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O3S2/c1-13-12-26-19(21-13)27-17-8-7-15(11-16(17)22(24)25)18(23)20-10-9-14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,20,23)