2-chloranyl-N-[4-[4-[(3-methoxyphenyl)carbamothioylamino]phenyl]phenyl]-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[4-[4-[(3-methoxyphenyl)carbamothioylamino]phenyl]phenyl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[4-[4-[(3-methoxyphenyl)carbamothioylamino]phenyl]phenyl]-5-nitro-benzamide CAS Name: 2-chloro-N-[4-[4-[[(3-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]phenyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[4-[4-[(3-methoxyphenyl)carbamothioylamino]phenyl]phenyl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[4-[4-[(3-methoxyphenyl)thiocarbamoylamino]phenyl]phenyl]-5-nitro-benzamide Formula: C27H21ClN4O4S MolecularWeight: 532.99804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NC2=CC=C(C=C2)C3=CC=C(C=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)NC2=CC=C(C=C2)C3=CC=C(C=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C27H21ClN4O4S/c1-36-23-4-2-3-21(15-23)31-27(37)30-20-11-7-18(8-12-20)17-5-9-19(10-6-17)29-26(33)24-16-22(32(34)35)13-14-25(24)28/h2-16H,1H3,(H,29,33)(H2,30,31,37)