1-[[4-(2-azanylethoxy)-3-methoxy-phenyl]methyl]-3-(4-tert-butylphenyl)thiourea

Systemtic Name: 1-[[4-(2-azanylethoxy)-3-methoxy-phenyl]methyl]-3-(4-tert-butylphenyl)thiourea Openeye Name: 1-[[4-(2-aminoethoxy)-3-methoxy-phenyl]methyl]-3-(4-tert-butylphenyl)thiourea CAS Name: 1-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]-3-(4-tert-butylphenyl)thiourea IUPAC Name: 1-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]-3-(4-tert-butylphenyl)thiourea Traditional Name: 1-[4-(2-aminoethoxy)-3-methoxy-benzyl]-3-(4-tert-butylphenyl)thiourea Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=S)NCC2=CC(=C(C=C2)OCCN)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=S)NCC2=CC(=C(C=C2)OCCN)OC

InChI

InChI=1S/C21H29N3O2S/c1-21(2,3)16-6-8-17(9-7-16)24-20(27)23-14-15-5-10-18(26-12-11-22)19(13-15)25-4/h5-10,13H,11-12,14,22H2,1-4H3,(H2,23,24,27)