N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[(4-nitrophenyl)carbamoylamino]pentanamide

Systemtic Name: N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[(4-nitrophenyl)carbamoylamino]pentanamide Openeye Name: N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[(4-nitrophenyl)carbamoylamino]pentanamide CAS Name: N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[[(4-nitroanilino)-oxomethyl]amino]pentanamide IUPAC Name: N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[(4-nitrophenyl)carbamoylamino]pentanamide Traditional Name: N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[(4-nitrophenyl)carbamoylamino]valeramide Formula: C23H27N7O4S MolecularWeight: 497.56998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC=C(C=C2)N(C)C)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC=C(C=C2)N(C)C)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H27N7O4S/c1-5-14(2)19(25-22(32)24-16-8-12-18(13-9-16)30(33)34)20(31)26-23-28-27-21(35-23)15-6-10-17(11-7-15)29(3)4/h6-14,19H,5H2,1-4H3,(H2,24,25,32)(H,26,28,31)