2-chloranylethanoic acid; 1-(2-cyclohexylethyl)-3-(pyridin-4-ylmethyl)-1-(2-sulfanylethyl)urea

Systemtic Name: 2-chloranylethanoic acid; 1-(2-cyclohexylethyl)-3-(pyridin-4-ylmethyl)-1-(2-sulfanylethyl)urea Openeye Name: 2-chloroacetic acid; 1-(2-cyclohexylethyl)-3-(4-pyridylmethyl)-1-(2-sulfanylethyl)urea CAS Name: 2-chloroacetic acid; 1-(2-cyclohexylethyl)-1-(2-mercaptoethyl)-3-(pyridin-4-ylmethyl)urea IUPAC Name: 2-chloroacetic acid; 1-(2-cyclohexylethyl)-3-(pyridin-4-ylmethyl)-1-(2-sulfanylethyl)urea Traditional Name: 2-chloroacetic acid; 1-(2-cyclohexylethyl)-1-(2-mercaptoethyl)-3-(4-pyridylmethyl)urea Formula: C19H30ClN3O3S MolecularWeight: 415.9778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCN(CCS)C(=O)NCC2=CC=NC=C2.C(C(=O)O)Cl

Isomeric SMILES

C1CCC(CC1)CCN(CCS)C(=O)NCC2=CC=NC=C2.C(C(=O)O)Cl

InChI

InChI=1S/C17H27N3OS.C2H3ClO2/c21-17(19-14-16-6-9-18-10-7-16)20(12-13-22)11-8-15-4-2-1-3-5-15;3-1-2(4)5/h6-7,9-10,15,22H,1-5,8,11-14H2,(H,19,21);1H2,(H,4,5)