3-(2-diethylaminoethyl)-1-[2-(phenylsulfonyl)ethyl]-1-propan-2-yl-thiourea

Systemtic Name: 3-(2-diethylaminoethyl)-1-[2-(phenylsulfonyl)ethyl]-1-propan-2-yl-thiourea Openeye Name: 1-[2-(benzenesulfonyl)ethyl]-3-(2-diethylaminoethyl)-1-isopropyl-thiourea CAS Name: 1-[2-(benzenesulfonyl)ethyl]-3-(2-diethylaminoethyl)-1-propan-2-ylthiourea IUPAC Name: 1-[2-(benzenesulfonyl)ethyl]-3-(2-diethylaminoethyl)-1-propan-2-ylthiourea Traditional Name: 1-(2-besylethyl)-3-(2-diethylaminoethyl)-1-isopropyl-thiourea Formula: C18H31N3O2S2 MolecularWeight: 385.58764

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=S)N(CCS(=O)(=O)C1=CC=CC=C1)C(C)C

Isomeric SMILES

CCN(CC)CCNC(=S)N(CCS(=O)(=O)C1=CC=CC=C1)C(C)C

InChI

InChI=1S/C18H31N3O2S2/c1-5-20(6-2)13-12-19-18(24)21(16(3)4)14-15-25(22,23)17-10-8-7-9-11-17/h7-11,16H,5-6,12-15H2,1-4H3,(H,19,24)