1-[[(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)propanoyl]amino]-3-(4-ethylphenyl)urea

Systemtic Name: 1-[[(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)propanoyl]amino]-3-(4-ethylphenyl)urea Openeye Name: 1-[[(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)propanoyl]amino]-3-(4-ethylphenyl)urea CAS Name: 1-[[(2S)-2-(1,3-benzothiazol-2-ylthio)-1-oxopropyl]amino]-3-(4-ethylphenyl)urea IUPAC Name: 1-[[(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)propanoyl]amino]-3-(4-ethylphenyl)urea Traditional Name: 1-[[(2S)-2-(1,3-benzothiazol-2-ylthio)propanoyl]amino]-3-(4-ethylphenyl)urea Formula: C19H20N4O2S2 MolecularWeight: 400.5177

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)NNC(=O)C(C)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)NNC(=O)[C@H](C)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H20N4O2S2/c1-3-13-8-10-14(11-9-13)20-18(25)23-22-17(24)12(2)26-19-21-15-6-4-5-7-16(15)27-19/h4-12H,3H2,1-2H3,(H,22,24)(H2,20,23,25)/t12-/m0/s1