3-(3-chloranyl-2-methyl-phenyl)-1-[(1-ethylindol-3-yl)methyl]-1-(phenylmethyl)thiourea

Systemtic Name: 3-(3-chloranyl-2-methyl-phenyl)-1-[(1-ethylindol-3-yl)methyl]-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(3-chloro-2-methyl-phenyl)-1-[(1-ethylindol-3-yl)methyl]thiourea CAS Name: 3-(3-chloro-2-methylphenyl)-1-[(1-ethyl-3-indolyl)methyl]-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(3-chloro-2-methylphenyl)-1-[(1-ethylindol-3-yl)methyl]thiourea Traditional Name: 1-benzyl-3-(3-chloro-2-methyl-phenyl)-1-[(1-ethylindol-3-yl)methyl]thiourea Formula: C26H26ClN3S MolecularWeight: 448.02274

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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)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C26H26ClN3S/c1-3-29-17-21(22-12-7-8-15-25(22)29)18-30(16-20-10-5-4-6-11-20)26(31)28-24-14-9-13-23(27)19(24)2/h4-15,17H,3,16,18H2,1-2H3,(H,28,31)