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

Systemtic Name: 3-(2,5-dimethylphenyl)-1-[(1-ethylindol-3-yl)methyl]-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(2,5-dimethylphenyl)-1-[(1-ethylindol-3-yl)methyl]thiourea CAS Name: 3-(2,5-dimethylphenyl)-1-[(1-ethyl-3-indolyl)methyl]-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(2,5-dimethylphenyl)-1-[(1-ethylindol-3-yl)methyl]thiourea Traditional Name: 1-benzyl-3-(2,5-dimethylphenyl)-1-[(1-ethylindol-3-yl)methyl]thiourea Formula: C27H29N3S MolecularWeight: 427.60426

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)CN(CC3=CC=CC=C3)C(=S)NC4=C(C=CC(=C4)C)C

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)CN(CC3=CC=CC=C3)C(=S)NC4=C(C=CC(=C4)C)C

InChI

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