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

Systemtic Name: N-(2-methoxyethyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-N-(2-methoxyethyl)-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: N-(2-methoxyethyl)-4-[(4-methyl-2-thiazolyl)thio]-3-nitro-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-N-(2-methoxyethyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-benzyl-N-(2-methoxyethyl)-4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzamide Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)N(CCOC)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)N(CCOC)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4S2/c1-15-14-29-21(22-15)30-19-9-8-17(12-18(19)24(26)27)20(25)23(10-11-28-2)13-16-6-4-3-5-7-16/h3-9,12,14H,10-11,13H2,1-2H3