2-azanyl-N-[2-[[2-[(4-methylphenyl)carbothioylamino]-5-(propylamino)cyclohexyl]amino]-2-oxidanylidene-ethyl]-5-(trifluoromethyl)benzamide

Systemtic Name: 2-azanyl-N-[2-[[2-[(4-methylphenyl)carbothioylamino]-5-(propylamino)cyclohexyl]amino]-2-oxidanylidene-ethyl]-5-(trifluoromethyl)benzamide Openeye Name: 2-amino-N-[2-[[2-[(4-methylbenzenecarbothioyl)amino]-5-(propylamino)cyclohexyl]amino]-2-oxo-ethyl]-5-(trifluoromethyl)benzamide CAS Name: 2-amino-N-[2-[[2-[[(4-methylphenyl)-sulfanylidenemethyl]amino]-5-(propylamino)cyclohexyl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide IUPAC Name: 2-amino-N-[2-[[2-[(4-methylbenzenecarbothioyl)amino]-5-(propylamino)cyclohexyl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide Traditional Name: 2-amino-N-[2-keto-2-[[2-[(4-methylthiobenzoyl)amino]-5-(propylamino)cyclohexyl]amino]ethyl]-5-(trifluoromethyl)benzamide Formula: C27H34F3N5O2S MolecularWeight: 549.65137

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1CCC(C(C1)NC(=O)CNC(=O)C2=C(C=CC(=C2)C(F)(F)F)N)NC(=S)C3=CC=C(C=C3)C

Isomeric SMILES

CCCNC1CCC(C(C1)NC(=O)CNC(=O)C2=C(C=CC(=C2)C(F)(F)F)N)NC(=S)C3=CC=C(C=C3)C

InChI

InChI=1S/C27H34F3N5O2S/c1-3-12-32-19-9-11-22(35-26(38)17-6-4-16(2)5-7-17)23(14-19)34-24(36)15-33-25(37)20-13-18(27(28,29)30)8-10-21(20)31/h4-8,10,13,19,22-23,32H,3,9,11-12,14-15,31H2,1-2H3,(H,33,37)(H,34,36)(H,35,38)