S-(3-azanyl-3-oxidanylidene-prop-1-en-2-yl) 4-butylbenzenecarbothioate

Systemtic Name: S-(3-azanyl-3-oxidanylidene-prop-1-en-2-yl) 4-butylbenzenecarbothioate Openeye Name: S-(1-carbamoylvinyl) 4-butylbenzenecarbothioate CAS Name: 4-butylbenzenecarbothioic acid S-(3-amino-3-oxoprop-1-en-2-yl) ester IUPAC Name: S-(3-amino-3-oxoprop-1-en-2-yl) 4-butylbenzenecarbothioate Traditional Name: 4-butylthiobenzoic acid S-(1-carbamoylvinyl) ester Formula: C14H17NO2S MolecularWeight: 263.35528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)SC(=C)C(=O)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)SC(=C)C(=O)N

InChI

InChI=1S/C14H17NO2S/c1-3-4-5-11-6-8-12(9-7-11)14(17)18-10(2)13(15)16/h6-9H,2-5H2,1H3,(H2,15,16)