3-(2,3-dimethylphenyl)-1-[(1-methylindol-3-yl)methyl]-1-(phenylmethyl)thiourea

Systemtic Name: 3-(2,3-dimethylphenyl)-1-[(1-methylindol-3-yl)methyl]-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(2,3-dimethylphenyl)-1-[(1-methylindol-3-yl)methyl]thiourea CAS Name: 3-(2,3-dimethylphenyl)-1-[(1-methyl-3-indolyl)methyl]-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(2,3-dimethylphenyl)-1-[(1-methylindol-3-yl)methyl]thiourea Traditional Name: 1-benzyl-3-(2,3-dimethylphenyl)-1-[(1-methylindol-3-yl)methyl]thiourea Formula: C26H27N3S MolecularWeight: 413.57768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CN(C4=CC=CC=C43)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CN(C4=CC=CC=C43)C)C

InChI

InChI=1S/C26H27N3S/c1-19-10-9-14-24(20(19)2)27-26(30)29(16-21-11-5-4-6-12-21)18-22-17-28(3)25-15-8-7-13-23(22)25/h4-15,17H,16,18H2,1-3H3,(H,27,30)