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

Systemtic Name: N-[4-[[3-chloranyl-4-[(phenylmethyl)-pyrrolidin-3-yl-amino]phenyl]sulfanylcarbamoylamino]phenyl]ethanamide Openeye Name: N-[4-[[4-[benzyl(pyrrolidin-3-yl)amino]-3-chloro-phenyl]sulfanylcarbamoylamino]phenyl]acetamide CAS Name: N-[4-[[[[[3-chloro-4-[(phenylmethyl)-(3-pyrrolidinyl)amino]phenyl]thio]amino]-oxomethyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[4-[benzyl(pyrrolidin-3-yl)amino]-3-chlorophenyl]sulfanylcarbamoylamino]phenyl]acetamide Traditional Name: N-[4-[[[4-[benzyl(pyrrolidin-3-yl)amino]-3-chloro-phenyl]thio]carbamoylamino]phenyl]acetamide Formula: C26H28ClN5O2S MolecularWeight: 510.05082

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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)C4CCNC4)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)NSC2=CC(=C(C=C2)N(CC3=CC=CC=C3)C4CCNC4)Cl

InChI

InChI=1S/C26H28ClN5O2S/c1-18(33)29-20-7-9-21(10-8-20)30-26(34)31-35-23-11-12-25(24(27)15-23)32(22-13-14-28-16-22)17-19-5-3-2-4-6-19/h2-12,15,22,28H,13-14,16-17H2,1H3,(H,29,33)(H2,30,31,34)