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

Systemtic Name: 1-[[(2S)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]-3-(2-methylphenyl)thiourea Openeye Name: 1-[[(2S)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]-3-(o-tolyl)thiourea CAS Name: 1-[[(2S)-2-(1,3-benzothiazol-2-ylamino)-1-oxopropyl]amino]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[[(2S)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]-3-(2-methylphenyl)thiourea Traditional Name: 1-[[(2S)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]-3-(o-tolyl)thiourea Formula: C18H19N5OS2 MolecularWeight: 385.50636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NNC(=O)C(C)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NNC(=O)[C@H](C)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H19N5OS2/c1-11-7-3-4-8-13(11)20-17(25)23-22-16(24)12(2)19-18-21-14-9-5-6-10-15(14)26-18/h3-10,12H,1-2H3,(H,19,21)(H,22,24)(H2,20,23,25)/t12-/m0/s1