3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(2-hydroxyethyl)-1-(phenylmethyl)urea

Systemtic Name: 3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(2-hydroxyethyl)-1-(phenylmethyl)urea Openeye Name: 1-benzyl-3-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-(2-hydroxyethyl)urea CAS Name: 3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(2-hydroxyethyl)-1-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(2-hydroxyethyl)urea Traditional Name: 1-benzyl-3-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-(2-hydroxyethyl)urea Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)N(CCO)CC3=CC=CC=C3)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)N(CCO)CC3=CC=CC=C3)C#N

InChI

InChI=1S/C19H21N3O2S/c20-12-16-15-8-4-5-9-17(15)25-18(16)21-19(24)22(10-11-23)13-14-6-2-1-3-7-14/h1-3,6-7,23H,4-5,8-11,13H2,(H,21,24)