3-(3,4-dimethoxyphenyl)-1-[[1-[(2,4-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-1-(phenylmethyl)thiourea

Systemtic Name: 3-(3,4-dimethoxyphenyl)-1-[[1-[(2,4-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(3,4-dimethoxyphenyl)-1-[[1-[(2,4-dimethylphenyl)methyl]pyrrol-2-yl]methyl]thiourea CAS Name: 3-(3,4-dimethoxyphenyl)-1-[[1-[(2,4-dimethylphenyl)methyl]-2-pyrrolyl]methyl]-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(3,4-dimethoxyphenyl)-1-[[1-[(2,4-dimethylphenyl)methyl]pyrrol-2-yl]methyl]thiourea Traditional Name: 1-benzyl-3-(3,4-dimethoxyphenyl)-1-[[1-(2,4-dimethylbenzyl)pyrrol-2-yl]methyl]thiourea Formula: C30H33N3O2S MolecularWeight: 499.66692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN2C=CC=C2CN(CC3=CC=CC=C3)C(=S)NC4=CC(=C(C=C4)OC)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN2C=CC=C2CN(CC3=CC=CC=C3)C(=S)NC4=CC(=C(C=C4)OC)OC)C

InChI

InChI=1S/C30H33N3O2S/c1-22-12-13-25(23(2)17-22)20-32-16-8-11-27(32)21-33(19-24-9-6-5-7-10-24)30(36)31-26-14-15-28(34-3)29(18-26)35-4/h5-18H,19-21H2,1-4H3,(H,31,36)