N-[[5-[(2S)-butan-2-yl]-2-oxidanyl-phenyl]carbamothioyl]-5-chloranyl-naphthalene-1-carboxamide

Systemtic Name: N-[[5-[(2S)-butan-2-yl]-2-oxidanyl-phenyl]carbamothioyl]-5-chloranyl-naphthalene-1-carboxamide Openeye Name: 5-chloro-N-[[2-hydroxy-5-[(1S)-1-methylpropyl]phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[5-[(2S)-butan-2-yl]-2-hydroxyanilino]-sulfanylidenemethyl]-5-chloro-1-naphthalenecarboxamide IUPAC Name: N-[[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]carbamothioyl]-5-chloronaphthalene-1-carboxamide Traditional Name: 5-chloro-N-[[2-hydroxy-5-[(1S)-1-methylpropyl]phenyl]thiocarbamoyl]-1-naphthamide Formula: C22H21ClN2O2S MolecularWeight: 412.93234

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C=C1)O)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Cl

Isomeric SMILES

CC[C@H](C)C1=CC(=C(C=C1)O)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Cl

InChI

InChI=1S/C22H21ClN2O2S/c1-3-13(2)14-10-11-20(26)19(12-14)24-22(28)25-21(27)17-8-4-7-16-15(17)6-5-9-18(16)23/h4-13,26H,3H2,1-2H3,(H2,24,25,27,28)/t13-/m0/s1