2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-4-methylsulfanyl-N-propyl-butanamide

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-4-methylsulfanyl-N-propyl-butanamide Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-methylsulfanyl-N-propyl-butanamide CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-(methylthio)-N-propylbutanamide IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-methylsulfanyl-N-propylbutanamide Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-4-(methylthio)-N-propyl-butyramide Formula: C15H21N3O3S2 MolecularWeight: 355.47554

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(CCSC)NC1=NS(=O)(=O)C2=CC=CC=C21

Isomeric SMILES

CCCNC(=O)C(CCSC)NC1=NS(=O)(=O)C2=CC=CC=C21

InChI

InChI=1S/C15H21N3O3S2/c1-3-9-16-15(19)12(8-10-22-2)17-14-11-6-4-5-7-13(11)23(20,21)18-14/h4-7,12H,3,8-10H2,1-2H3,(H,16,19)(H,17,18)