[2-[(4-methylphenyl)carbothioylamino]-4-(phenylmethoxycarbonylamino)cyclohexyl]carbamic acid

Systemtic Name: [2-[(4-methylphenyl)carbothioylamino]-4-(phenylmethoxycarbonylamino)cyclohexyl]carbamic acid Openeye Name: [4-(benzyloxycarbonylamino)-2-[(4-methylbenzenecarbothioyl)amino]cyclohexyl]carbamic acid CAS Name: [2-[[(4-methylphenyl)-sulfanylidenemethyl]amino]-4-(phenylmethoxycarbonylamino)cyclohexyl]carbamic acid IUPAC Name: [2-[(4-methylbenzenecarbothioyl)amino]-4-(phenylmethoxycarbonylamino)cyclohexyl]carbamic acid Traditional Name: [4-(benzyloxycarbonylamino)-2-[(4-methylthiobenzoyl)amino]cyclohexyl]carbamic acid Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)NC2CC(CCC2NC(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)NC2CC(CCC2NC(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O4S/c1-15-7-9-17(10-8-15)21(31)25-20-13-18(11-12-19(20)26-22(27)28)24-23(29)30-14-16-5-3-2-4-6-16/h2-10,18-20,26H,11-14H2,1H3,(H,24,29)(H,25,31)(H,27,28)