1-cyclohexyl-3-(4-ethanoylphenyl)-1-[3-[(4-ethanoylphenyl)carbamothioylamino]propyl]thiourea

Systemtic Name: 1-cyclohexyl-3-(4-ethanoylphenyl)-1-[3-[(4-ethanoylphenyl)carbamothioylamino]propyl]thiourea Openeye Name: 3-(4-acetylphenyl)-1-[3-[(4-acetylphenyl)carbamothioylamino]propyl]-1-cyclohexyl-thiourea CAS Name: 1-[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]propyl]-3-(4-acetylphenyl)-1-cyclohexylthiourea IUPAC Name: 3-(4-acetylphenyl)-1-[3-[(4-acetylphenyl)carbamothioylamino]propyl]-1-cyclohexylthiourea Traditional Name: 3-(4-acetylphenyl)-1-[3-[(4-acetylphenyl)thiocarbamoylamino]propyl]-1-cyclohexyl-thiourea Formula: C27H34N4O2S2 MolecularWeight: 510.71446

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=S)NCCCN(C2CCCCC2)C(=S)NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)NCCCN(C2CCCCC2)C(=S)NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C27H34N4O2S2/c1-19(32)21-9-13-23(14-10-21)29-26(34)28-17-6-18-31(25-7-4-3-5-8-25)27(35)30-24-15-11-22(12-16-24)20(2)33/h9-16,25H,3-8,17-18H2,1-2H3,(H,30,35)(H2,28,29,34)