3-(3-cyanophenyl)-1-(2,2-diethoxyethyl)-1-phenethyl-thiourea

Systemtic Name: 3-(3-cyanophenyl)-1-(2,2-diethoxyethyl)-1-phenethyl-thiourea Openeye Name: 3-(3-cyanophenyl)-1-(2,2-diethoxyethyl)-1-phenethyl-thiourea CAS Name: 3-(3-cyanophenyl)-1-(2,2-diethoxyethyl)-1-phenethylthiourea IUPAC Name: 3-(3-cyanophenyl)-1-(2,2-diethoxyethyl)-1-phenethylthiourea Traditional Name: 3-(3-cyanophenyl)-1-(2,2-diethoxyethyl)-1-phenethyl-thiourea Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CN(CCC1=CC=CC=C1)C(=S)NC2=CC=CC(=C2)C#N)OCC

Isomeric SMILES

CCOC(CN(CCC1=CC=CC=C1)C(=S)NC2=CC=CC(=C2)C#N)OCC

InChI

InChI=1S/C22H27N3O2S/c1-3-26-21(27-4-2)17-25(14-13-18-9-6-5-7-10-18)22(28)24-20-12-8-11-19(15-20)16-23/h5-12,15,21H,3-4,13-14,17H2,1-2H3,(H,24,28)