1-[2-(1,3-benzothiazol-2-ylamino)ethanoylamino]-3-(3-chloranyl-2-methyl-phenyl)thiourea

Systemtic Name: 1-[2-(1,3-benzothiazol-2-ylamino)ethanoylamino]-3-(3-chloranyl-2-methyl-phenyl)thiourea Openeye Name: 1-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]-3-(3-chloro-2-methyl-phenyl)thiourea CAS Name: 1-[[2-(1,3-benzothiazol-2-ylamino)-1-oxoethyl]amino]-3-(3-chloro-2-methylphenyl)thiourea IUPAC Name: 1-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]-3-(3-chloro-2-methylphenyl)thiourea Traditional Name: 1-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]-3-(3-chloro-2-methyl-phenyl)thiourea Formula: C17H16ClN5OS2 MolecularWeight: 405.92484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NNC(=O)CNC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NNC(=O)CNC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H16ClN5OS2/c1-10-11(18)5-4-7-12(10)20-16(25)23-22-15(24)9-19-17-21-13-6-2-3-8-14(13)26-17/h2-8H,9H2,1H3,(H,19,21)(H,22,24)(H2,20,23,25)