1-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-3-[(1R,2S)-2-methylcyclohexyl]thiourea

Systemtic Name: 1-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-3-[(1R,2S)-2-methylcyclohexyl]thiourea Openeye Name: 1-[(3-chlorobenzothiophene-2-carbonyl)amino]-3-[(1R,2S)-2-methylcyclohexyl]thiourea CAS Name: 1-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-[(1R,2S)-2-methylcyclohexyl]thiourea IUPAC Name: 1-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-3-[(1R,2S)-2-methylcyclohexyl]thiourea Traditional Name: 1-[(3-chlorobenzothiophene-2-carbonyl)amino]-3-[(1R,2S)-2-methylcyclohexyl]thiourea Formula: C17H20ClN3OS2 MolecularWeight: 381.9432

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=S)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C17H20ClN3OS2/c1-10-6-2-4-8-12(10)19-17(23)21-20-16(22)15-14(18)11-7-3-5-9-13(11)24-15/h3,5,7,9-10,12H,2,4,6,8H2,1H3,(H,20,22)(H2,19,21,23)/t10-,12+/m0/s1