N-aminocarbonyl-2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-butanamide

Systemtic Name: N-aminocarbonyl-2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-butanamide Openeye Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-3-methyl-butanamide CAS Name: 2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-N-carbamoyl-3-methylbutanamide IUPAC Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-3-methylbutanamide Traditional Name: 2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-N-carbamoyl-3-methyl-butyramide Formula: C18H22N6O2S3 MolecularWeight: 450.60128

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C(C)C)C(=O)NC(=O)N)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCN1C(=NN=C1SC(C(C)C)C(=O)NC(=O)N)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H22N6O2S3/c1-4-24-13(9-27-18-20-11-7-5-6-8-12(11)28-18)22-23-17(24)29-14(10(2)3)15(25)21-16(19)26/h5-8,10,14H,4,9H2,1-3H3,(H3,19,21,25,26)