1-[(2R)-1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]urea

Systemtic Name: 1-[(2R)-1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]urea Openeye Name: [(1R)-1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-3-methylsulfanyl-propyl]urea CAS Name: [(2R)-1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-4-(methylthio)-1-oxobutan-2-yl]urea IUPAC Name: [(2R)-1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]urea Traditional Name: [(1R)-1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-3-(methylthio)propyl]urea Formula: C18H24N4O2S2 MolecularWeight: 392.53876

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCCC(C1)C2=NC3=CC=CC=C3S2)NC(=O)N

Isomeric SMILES

CSCC[C@H](C(=O)N1CCC[C@H](C1)C2=NC3=CC=CC=C3S2)NC(=O)N

InChI

InChI=1S/C18H24N4O2S2/c1-25-10-8-14(21-18(19)24)17(23)22-9-4-5-12(11-22)16-20-13-6-2-3-7-15(13)26-16/h2-3,6-7,12,14H,4-5,8-11H2,1H3,(H3,19,21,24)/t12-,14-/m1/s1