N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-pyrrol-1-yl-benzamide

Systemtic Name: N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-pyrrol-1-yl-benzamide Openeye Name: N-[5-(2-amino-2-oxo-ethyl)sulfanyl-4-methyl-thiazol-2-yl]-4-pyrrol-1-yl-benzamide CAS Name: N-[5-[(2-amino-2-oxoethyl)thio]-4-methyl-2-thiazolyl]-4-(1-pyrrolyl)benzamide IUPAC Name: N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-pyrrol-1-ylbenzamide Traditional Name: N-[5-[(2-amino-2-keto-ethyl)thio]-4-methyl-thiazol-2-yl]-4-pyrrol-1-yl-benzamide Formula: C17H16N4O2S2 MolecularWeight: 372.46454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)N3C=CC=C3)SCC(=O)N

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)N3C=CC=C3)SCC(=O)N

InChI

InChI=1S/C17H16N4O2S2/c1-11-16(24-10-14(18)22)25-17(19-11)20-15(23)12-4-6-13(7-5-12)21-8-2-3-9-21/h2-9H,10H2,1H3,(H2,18,22)(H,19,20,23)