2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1-phenylpropan-2-ylideneamino]butanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1-phenylpropan-2-ylideneamino]butanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(1-methyl-2-phenyl-ethylidene)amino]butanamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[(E)-1-phenylpropan-2-ylideneamino]butanamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1-phenylpropan-2-ylideneamino]butanamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-[(E)-(1-methyl-2-phenyl-ethylidene)amino]butyramide Formula: C20H21N3OS2 MolecularWeight: 383.53024

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NN=C(C)CC1=CC=CC=C1)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCC(C(=O)N/N=C(\C)/CC1=CC=CC=C1)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H21N3OS2/c1-3-17(25-20-21-16-11-7-8-12-18(16)26-20)19(24)23-22-14(2)13-15-9-5-4-6-10-15/h4-12,17H,3,13H2,1-2H3,(H,23,24)/b22-14+