1-[[(2S)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]-3-(2-ethylphenyl)thiourea

Systemtic Name: 1-[[(2S)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]-3-(2-ethylphenyl)thiourea Openeye Name: 1-[[(2S)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]-3-(2-ethylphenyl)thiourea CAS Name: 1-[[(2S)-2-(1,3-benzothiazol-2-ylamino)-1-oxopropyl]amino]-3-(2-ethylphenyl)thiourea IUPAC Name: 1-[[(2S)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]-3-(2-ethylphenyl)thiourea Traditional Name: 1-[[(2S)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]-3-(2-ethylphenyl)thiourea Formula: C19H21N5OS2 MolecularWeight: 399.53294

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)NNC(=O)C(C)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)NNC(=O)[C@H](C)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H21N5OS2/c1-3-13-8-4-5-9-14(13)21-18(26)24-23-17(25)12(2)20-19-22-15-10-6-7-11-16(15)27-19/h4-12H,3H2,1-2H3,(H,20,22)(H,23,25)(H2,21,24,26)/t12-/m0/s1