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

Systemtic Name: N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzamide IUPAC Name: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzamide Formula: C19H20N4O3S3 MolecularWeight: 448.5821

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCC(C3=CC=CS3)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCC(C3=CC=CS3)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O3S3/c1-12-11-28-19(21-12)29-17-7-6-13(9-14(17)23(25)26)18(24)20-10-15(22(2)3)16-5-4-8-27-16/h4-9,11,15H,10H2,1-3H3,(H,20,24)