1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea Formula: C17H24N2O2S MolecularWeight: 320.44966

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=S)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C17H24N2O2S/c1-12-5-2-3-6-14(12)19-17(22)18-13-7-8-15-16(11-13)21-10-4-9-20-15/h7-8,11-12,14H,2-6,9-10H2,1H3,(H2,18,19,22)/t12-,14-/m0/s1