3-(2,6-dimethylphenyl)-1-[(1-ethylindol-3-yl)methyl]-1-(phenylmethyl)thiourea

Systemtic Name: 3-(2,6-dimethylphenyl)-1-[(1-ethylindol-3-yl)methyl]-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(2,6-dimethylphenyl)-1-[(1-ethylindol-3-yl)methyl]thiourea CAS Name: 3-(2,6-dimethylphenyl)-1-[(1-ethyl-3-indolyl)methyl]-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(2,6-dimethylphenyl)-1-[(1-ethylindol-3-yl)methyl]thiourea Traditional Name: 1-benzyl-3-(2,6-dimethylphenyl)-1-[(1-ethylindol-3-yl)methyl]thiourea Formula: C27H29N3S MolecularWeight: 427.60426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)CN(CC3=CC=CC=C3)C(=S)NC4=C(C=CC=C4C)C

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)CN(CC3=CC=CC=C3)C(=S)NC4=C(C=CC=C4C)C

InChI

InChI=1S/C27H29N3S/c1-4-29-18-23(24-15-8-9-16-25(24)29)19-30(17-22-13-6-5-7-14-22)27(31)28-26-20(2)11-10-12-21(26)3/h5-16,18H,4,17,19H2,1-3H3,(H,28,31)