3-cycloheptyl-1-[(1R)-1-phenylethyl]-1-[(3,4,5-trimethoxyphenyl)methyl]thiourea

Systemtic Name: 3-cycloheptyl-1-[(1R)-1-phenylethyl]-1-[(3,4,5-trimethoxyphenyl)methyl]thiourea Openeye Name: 3-cycloheptyl-1-[(1R)-1-phenylethyl]-1-[(3,4,5-trimethoxyphenyl)methyl]thiourea CAS Name: 3-cycloheptyl-1-[(1R)-1-phenylethyl]-1-[(3,4,5-trimethoxyphenyl)methyl]thiourea IUPAC Name: 3-cycloheptyl-1-[(1R)-1-phenylethyl]-1-[(3,4,5-trimethoxyphenyl)methyl]thiourea Traditional Name: 3-cycloheptyl-1-[(1R)-1-phenylethyl]-1-(3,4,5-trimethoxybenzyl)thiourea Formula: C26H36N2O3S MolecularWeight: 456.64064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(CC2=CC(=C(C(=C2)OC)OC)OC)C(=S)NC3CCCCCC3

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N(CC2=CC(=C(C(=C2)OC)OC)OC)C(=S)NC3CCCCCC3

InChI

InChI=1S/C26H36N2O3S/c1-19(21-12-8-7-9-13-21)28(26(32)27-22-14-10-5-6-11-15-22)18-20-16-23(29-2)25(31-4)24(17-20)30-3/h7-9,12-13,16-17,19,22H,5-6,10-11,14-15,18H2,1-4H3,(H,27,32)/t19-/m1/s1