N-[(5-ethyl-2-oxidanyl-phenyl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[(5-ethyl-2-oxidanyl-phenyl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(5-ethyl-2-hydroxy-phenyl)carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[(5-ethyl-2-hydroxyanilino)-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(5-ethyl-2-hydroxy-phenyl)thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C21H24N4O4S MolecularWeight: 428.50466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)O)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC(=C(C=C1)O)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4S/c1-2-14-6-9-19(26)16(12-14)22-21(30)23-20(27)15-7-8-17(18(13-15)25(28)29)24-10-4-3-5-11-24/h6-9,12-13,26H,2-5,10-11H2,1H3,(H2,22,23,27,30)