3-(2,5-dimethylphenyl)-1-[(1-methylindol-3-yl)methyl]-1-(phenylmethyl)thiourea

Systemtic Name: 3-(2,5-dimethylphenyl)-1-[(1-methylindol-3-yl)methyl]-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(2,5-dimethylphenyl)-1-[(1-methylindol-3-yl)methyl]thiourea CAS Name: 3-(2,5-dimethylphenyl)-1-[(1-methyl-3-indolyl)methyl]-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(2,5-dimethylphenyl)-1-[(1-methylindol-3-yl)methyl]thiourea Traditional Name: 1-benzyl-3-(2,5-dimethylphenyl)-1-[(1-methylindol-3-yl)methyl]thiourea Formula: C26H27N3S MolecularWeight: 413.57768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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