1-(2-ethyl-6-methyl-phenyl)-3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]thiourea

Systemtic Name: 1-(2-ethyl-6-methyl-phenyl)-3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]thiourea Openeye Name: 1-(2-ethyl-6-methyl-phenyl)-3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]thiourea CAS Name: 1-(2-ethyl-6-methylphenyl)-3-[[1-(4-methoxyphenyl)-3-pyrrolidinyl]methyl]thiourea IUPAC Name: 1-(2-ethyl-6-methylphenyl)-3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]thiourea Traditional Name: 1-(2-ethyl-6-methyl-phenyl)-3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]thiourea Formula: C22H29N3OS MolecularWeight: 383.55016

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NCC2CCN(C2)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NCC2CCN(C2)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C22H29N3OS/c1-4-18-7-5-6-16(2)21(18)24-22(27)23-14-17-12-13-25(15-17)19-8-10-20(26-3)11-9-19/h5-11,17H,4,12-15H2,1-3H3,(H2,23,24,27)