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

Systemtic Name: 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-yl-2-thiophen-2-yl-ethyl)-3-nitro-benzamide Openeye Name: 4-(4-methylthiazol-2-yl)sulfanyl-N-[2-morpholino-2-(2-thienyl)ethyl]-3-nitro-benzamide CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-N-[2-(4-morpholinyl)-2-thiophen-2-ylethyl]-3-nitrobenzamide IUPAC Name: 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-nitrobenzamide Traditional Name: 4-[(4-methylthiazol-2-yl)thio]-N-[2-morpholino-2-(2-thienyl)ethyl]-3-nitro-benzamide Formula: C21H22N4O4S3 MolecularWeight: 490.61878

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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)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCC(C3=CC=CS3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4S3/c1-14-13-31-21(23-14)32-19-5-4-15(11-16(19)25(27)28)20(26)22-12-17(18-3-2-10-30-18)24-6-8-29-9-7-24/h2-5,10-11,13,17H,6-9,12H2,1H3,(H,22,26)