4-[[4-[azepan-2-yl(ethanoyl)amino]-3-chloranyl-phenyl]sulfanylcarbamoylamino]-2-fluoranyl-3-phenyl-benzamide

Systemtic Name: 4-[[4-[azepan-2-yl(ethanoyl)amino]-3-chloranyl-phenyl]sulfanylcarbamoylamino]-2-fluoranyl-3-phenyl-benzamide Openeye Name: 4-[[4-[acetyl(azepan-2-yl)amino]-3-chloro-phenyl]sulfanylcarbamoylamino]-2-fluoro-3-phenyl-benzamide CAS Name: 4-[[[[[4-[acetyl(2-azepanyl)amino]-3-chlorophenyl]thio]amino]-oxomethyl]amino]-2-fluoro-3-phenylbenzamide IUPAC Name: 4-[[4-[acetyl(azepan-2-yl)amino]-3-chlorophenyl]sulfanylcarbamoylamino]-2-fluoro-3-phenylbenzamide Traditional Name: 4-[[[4-[acetyl(azepan-2-yl)amino]-3-chloro-phenyl]thio]carbamoylamino]-2-fluoro-3-phenyl-benzamide Formula: C28H29ClFN5O3S MolecularWeight: 570.077963

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1CCCCCN1)C2=C(C=C(C=C2)SNC(=O)NC3=C(C(=C(C=C3)C(=O)N)F)C4=CC=CC=C4)Cl

Isomeric SMILES

CC(=O)N(C1CCCCCN1)C2=C(C=C(C=C2)SNC(=O)NC3=C(C(=C(C=C3)C(=O)N)F)C4=CC=CC=C4)Cl

InChI

InChI=1S/C28H29ClFN5O3S/c1-17(36)35(24-10-6-3-7-15-32-24)23-14-11-19(16-21(23)29)39-34-28(38)33-22-13-12-20(27(31)37)26(30)25(22)18-8-4-2-5-9-18/h2,4-5,8-9,11-14,16,24,32H,3,6-7,10,15H2,1H3,(H2,31,37)(H2,33,34,38)