3-(4-chloranyl-2-methoxy-phenyl)-1-[(1-ethylindol-3-yl)methyl]-1-(phenylmethyl)thiourea

Systemtic Name: 3-(4-chloranyl-2-methoxy-phenyl)-1-[(1-ethylindol-3-yl)methyl]-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(4-chloro-2-methoxy-phenyl)-1-[(1-ethylindol-3-yl)methyl]thiourea CAS Name: 3-(4-chloro-2-methoxyphenyl)-1-[(1-ethyl-3-indolyl)methyl]-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(4-chloro-2-methoxyphenyl)-1-[(1-ethylindol-3-yl)methyl]thiourea Traditional Name: 1-benzyl-3-(4-chloro-2-methoxy-phenyl)-1-[(1-ethylindol-3-yl)methyl]thiourea Formula: C26H26ClN3OS MolecularWeight: 464.02214

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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=C(C=C4)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H26ClN3OS/c1-3-29-17-20(22-11-7-8-12-24(22)29)18-30(16-19-9-5-4-6-10-19)26(32)28-23-14-13-21(27)15-25(23)31-2/h4-15,17H,3,16,18H2,1-2H3,(H,28,32)