N-[[5-chloranyl-2-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide

Systemtic Name: N-[[5-chloranyl-2-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: N-[[5-chloro-2-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: N-[[5-chloro-2-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: N-[[5-chloro-2-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: N-[[5-chloro-2-[4-(2-fluorobenzoyl)piperazino]phenyl]thiocarbamoyl]-3-methoxy-2-naphthamide Formula: C30H26ClFN4O3S MolecularWeight: 577.068843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=C(C=CC(=C3)Cl)N4CCN(CC4)C(=O)C5=CC=CC=C5F

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=C(C=CC(=C3)Cl)N4CCN(CC4)C(=O)C5=CC=CC=C5F

InChI

InChI=1S/C30H26ClFN4O3S/c1-39-27-17-20-7-3-2-6-19(20)16-23(27)28(37)34-30(40)33-25-18-21(31)10-11-26(25)35-12-14-36(15-13-35)29(38)22-8-4-5-9-24(22)32/h2-11,16-18H,12-15H2,1H3,(H2,33,34,37,40)