N-[4-methylsulfanyl-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide

Systemtic Name: N-[4-methylsulfanyl-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: N-[3-methylsulfanyl-1-[methyl(3-thienylmethyl)carbamoyl]propyl]-3-nitro-benzamide CAS Name: N-[4-(methylthio)-1-[methyl(3-thiophenylmethyl)amino]-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: N-[4-methylsulfanyl-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: N-[1-[methyl(3-thenyl)carbamoyl]-3-(methylthio)propyl]-3-nitro-benzamide Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CSC=C1)C(=O)C(CCSC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CSC=C1)C(=O)C(CCSC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O4S2/c1-20(11-13-6-9-27-12-13)18(23)16(7-8-26-2)19-17(22)14-4-3-5-15(10-14)21(24)25/h3-6,9-10,12,16H,7-8,11H2,1-2H3,(H,19,22)