3-chloranyl-N-[2-oxidanyl-3-[(phenylmethyl)amino]propyl]-6-sulfanylidene-cyclohexa-1,3-diene-1-carboxamide

Systemtic Name: 3-chloranyl-N-[2-oxidanyl-3-[(phenylmethyl)amino]propyl]-6-sulfanylidene-cyclohexa-1,3-diene-1-carboxamide Openeye Name: N-[3-(benzylamino)-2-hydroxy-propyl]-3-chloro-6-thioxo-cyclohexa-1,3-diene-1-carboxamide CAS Name: 3-chloro-N-[2-hydroxy-3-[(phenylmethyl)amino]propyl]-6-sulfanylidene-1-cyclohexa-1,3-dienecarboxamide IUPAC Name: N-[3-(benzylamino)-2-hydroxypropyl]-3-chloro-6-sulfanylidenecyclohexa-1,3-diene-1-carboxamide Traditional Name: N-[3-(benzylamino)-2-hydroxy-propyl]-3-chloro-6-thioxo-cyclohexa-1,3-diene-1-carboxamide Formula: C17H19ClN2O2S MolecularWeight: 350.86296

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C=C(C1=S)C(=O)NCC(CNCC2=CC=CC=C2)O)Cl

Isomeric SMILES

C1C=C(C=C(C1=S)C(=O)NCC(CNCC2=CC=CC=C2)O)Cl

InChI

InChI=1S/C17H19ClN2O2S/c18-13-6-7-16(23)15(8-13)17(22)20-11-14(21)10-19-9-12-4-2-1-3-5-12/h1-6,8,14,19,21H,7,9-11H2,(H,20,22)