1-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]-3-phenyl-thiourea

Systemtic Name: 1-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]-3-phenyl-thiourea Openeye Name: 1-[(7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]-3-phenyl-thiourea CAS Name: 1-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]-3-phenylthiourea IUPAC Name: 1-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]-3-phenylthiourea Traditional Name: 1-[(7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]-3-phenyl-thiourea Formula: C27H36N2S MolecularWeight: 420.65314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CNC(=S)NC4=CC=CC=C4)C

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CNC(=S)NC4=CC=CC=C4)C

InChI

InChI=1S/C27H36N2S/c1-19(2)20-11-13-23-21(17-20)12-14-24-26(3,15-8-16-27(23,24)4)18-28-25(30)29-22-9-6-5-7-10-22/h5-7,9-11,13,17,19,24H,8,12,14-16,18H2,1-4H3,(H2,28,29,30)