N-[2-methyl-2-[methylcarbamothioyl-(phenylmethyl)amino]butyl]-2-[3-[(4-nitrophenyl)methyl]imidazol-4-yl]ethanamide

Systemtic Name: N-[2-methyl-2-[methylcarbamothioyl-(phenylmethyl)amino]butyl]-2-[3-[(4-nitrophenyl)methyl]imidazol-4-yl]ethanamide Openeye Name: N-[2-[benzyl(methylcarbamothioyl)amino]-2-methyl-butyl]-2-[3-[(4-nitrophenyl)methyl]imidazol-4-yl]acetamide CAS Name: N-[2-methyl-2-[[methylamino(sulfanylidene)methyl]-(phenylmethyl)amino]butyl]-2-[3-[(4-nitrophenyl)methyl]-4-imidazolyl]acetamide IUPAC Name: N-[2-[benzyl(methylcarbamothioyl)amino]-2-methylbutyl]-2-[3-[(4-nitrophenyl)methyl]imidazol-4-yl]acetamide Traditional Name: N-[2-[benzyl(methylthiocarbamoyl)amino]-2-methyl-butyl]-2-[3-(4-nitrobenzyl)imidazol-4-yl]acetamide Formula: C26H32N6O3S MolecularWeight: 508.63568

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CNC(=O)CC1=CN=CN1CC2=CC=C(C=C2)[N+](=O)[O-])N(CC3=CC=CC=C3)C(=S)NC

Isomeric SMILES

CCC(C)(CNC(=O)CC1=CN=CN1CC2=CC=C(C=C2)[N+](=O)[O-])N(CC3=CC=CC=C3)C(=S)NC

InChI

InChI=1S/C26H32N6O3S/c1-4-26(2,31(25(36)27-3)17-20-8-6-5-7-9-20)18-29-24(33)14-23-15-28-19-30(23)16-21-10-12-22(13-11-21)32(34)35/h5-13,15,19H,4,14,16-18H2,1-3H3,(H,27,36)(H,29,33)