N-[4-[[3-chloranyl-4-[(phenylmethyl)-piperidin-4-yl-amino]phenyl]sulfanylcarbamoylamino]phenyl]ethanamide

Systemtic Name: N-[4-[[3-chloranyl-4-[(phenylmethyl)-piperidin-4-yl-amino]phenyl]sulfanylcarbamoylamino]phenyl]ethanamide Openeye Name: N-[4-[[4-[benzyl(4-piperidyl)amino]-3-chloro-phenyl]sulfanylcarbamoylamino]phenyl]acetamide CAS Name: N-[4-[[[[[3-chloro-4-[(phenylmethyl)-(4-piperidinyl)amino]phenyl]thio]amino]-oxomethyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[4-[benzyl(piperidin-4-yl)amino]-3-chlorophenyl]sulfanylcarbamoylamino]phenyl]acetamide Traditional Name: N-[4-[[[4-[benzyl(4-piperidyl)amino]-3-chloro-phenyl]thio]carbamoylamino]phenyl]acetamide Formula: C27H30ClN5O2S MolecularWeight: 524.0774

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)NSC2=CC(=C(C=C2)N(CC3=CC=CC=C3)C4CCNCC4)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)NSC2=CC(=C(C=C2)N(CC3=CC=CC=C3)C4CCNCC4)Cl

InChI

InChI=1S/C27H30ClN5O2S/c1-19(34)30-21-7-9-22(10-8-21)31-27(35)32-36-24-11-12-26(25(28)17-24)33(23-13-15-29-16-14-23)18-20-5-3-2-4-6-20/h2-12,17,23,29H,13-16,18H2,1H3,(H,30,34)(H2,31,32,35)