1-(4-iodophenyl)-3-[(1R,2S)-2-[(4-iodophenyl)carbamothioylamino]cyclohexyl]thiourea

Systemtic Name: 1-(4-iodophenyl)-3-[(1R,2S)-2-[(4-iodophenyl)carbamothioylamino]cyclohexyl]thiourea Openeye Name: 1-(4-iodophenyl)-3-[(1R,2S)-2-[(4-iodophenyl)carbamothioylamino]cyclohexyl]thiourea CAS Name: 1-[(1R,2S)-2-[[(4-iodoanilino)-sulfanylidenemethyl]amino]cyclohexyl]-3-(4-iodophenyl)thiourea IUPAC Name: 1-(4-iodophenyl)-3-[(1R,2S)-2-[(4-iodophenyl)carbamothioylamino]cyclohexyl]thiourea Traditional Name: 1-(4-iodophenyl)-3-[(1R,2S)-2-[(4-iodophenyl)thiocarbamoylamino]cyclohexyl]thiourea Formula: C20H22I2N4S2 MolecularWeight: 636.35442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NC(=S)NC2=CC=C(C=C2)I)NC(=S)NC3=CC=C(C=C3)I

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)NC(=S)NC2=CC=C(C=C2)I)NC(=S)NC3=CC=C(C=C3)I

InChI

InChI=1S/C20H22I2N4S2/c21-13-5-9-15(10-6-13)23-19(27)25-17-3-1-2-4-18(17)26-20(28)24-16-11-7-14(22)8-12-16/h5-12,17-18H,1-4H2,(H2,23,25,27)(H2,24,26,28)/t17-,18+