1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(3-chloranyl-2-methyl-phenyl)thiourea

Systemtic Name: 1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(3-chloranyl-2-methyl-phenyl)thiourea Openeye Name: 1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(3-chloro-2-methyl-phenyl)thiourea CAS Name: 1-[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]amino]-3-(3-chloro-2-methylphenyl)thiourea IUPAC Name: 1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(3-chloro-2-methylphenyl)thiourea Traditional Name: 1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(3-chloro-2-methyl-phenyl)thiourea Formula: C18H17ClN4OS2 MolecularWeight: 404.93678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NNC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NNC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H17ClN4OS2/c1-11-12(19)5-4-7-13(11)21-18(25)23-22-16(24)9-10-17-20-14-6-2-3-8-15(14)26-17/h2-8H,9-10H2,1H3,(H,22,24)(H2,21,23,25)