2-[3-[[3-chloranyl-4-[(phenylmethyl)amino]phenyl]sulfanylcarbamoylamino]phenyl]ethanamide

Systemtic Name: 2-[3-[[3-chloranyl-4-[(phenylmethyl)amino]phenyl]sulfanylcarbamoylamino]phenyl]ethanamide Openeye Name: 2-[3-[[4-(benzylamino)-3-chloro-phenyl]sulfanylcarbamoylamino]phenyl]acetamide CAS Name: 2-[3-[[[[[3-chloro-4-[(phenylmethyl)amino]phenyl]thio]amino]-oxomethyl]amino]phenyl]acetamide IUPAC Name: 2-[3-[[4-(benzylamino)-3-chlorophenyl]sulfanylcarbamoylamino]phenyl]acetamide Traditional Name: 2-[3-[[[4-(benzylamino)-3-chloro-phenyl]thio]carbamoylamino]phenyl]acetamide Formula: C22H21ClN4O2S MolecularWeight: 440.94574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)SNC(=O)NC3=CC=CC(=C3)CC(=O)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)SNC(=O)NC3=CC=CC(=C3)CC(=O)N)Cl

InChI

InChI=1S/C22H21ClN4O2S/c23-19-13-18(9-10-20(19)25-14-15-5-2-1-3-6-15)30-27-22(29)26-17-8-4-7-16(11-17)12-21(24)28/h1-11,13,25H,12,14H2,(H2,24,28)(H2,26,27,29)