S-[[4-[5-(cyanomethyl)furan-2-yl]-1,3-thiazol-2-yl]carbamoylamino] benzenecarbothioate

Systemtic Name: S-[[4-[5-(cyanomethyl)furan-2-yl]-1,3-thiazol-2-yl]carbamoylamino] benzenecarbothioate Openeye Name: S-[[4-[5-(cyanomethyl)-2-furyl]thiazol-2-yl]carbamoylamino] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[[[[4-[5-(cyanomethyl)-2-furanyl]-2-thiazolyl]amino]-oxomethyl]amino] ester IUPAC Name: S-[[4-[5-(cyanomethyl)furan-2-yl]-1,3-thiazol-2-yl]carbamoylamino] benzenecarbothioate Traditional Name: thiobenzoic acid S-[[4-[5-(cyanomethyl)-2-furyl]thiazol-2-yl]carbamoylamino] ester Formula: C17H12N4O3S2 MolecularWeight: 384.43218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SNC(=O)NC2=NC(=CS2)C3=CC=C(O3)CC#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SNC(=O)NC2=NC(=CS2)C3=CC=C(O3)CC#N

InChI

InChI=1S/C17H12N4O3S2/c18-9-8-12-6-7-14(24-12)13-10-25-17(19-13)20-16(23)21-26-15(22)11-4-2-1-3-5-11/h1-7,10H,8H2,(H2,19,20,21,23)