1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(4-chlorophenyl)thiourea

Systemtic Name: 1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(4-chlorophenyl)thiourea Openeye Name: 1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(4-chlorophenyl)thiourea CAS Name: 1-[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]amino]-3-(4-chlorophenyl)thiourea IUPAC Name: 1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(4-chlorophenyl)thiourea Traditional Name: 1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(4-chlorophenyl)thiourea Formula: C17H15ClN4OS2 MolecularWeight: 390.9102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCC(=O)NNC(=S)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCC(=O)NNC(=S)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H15ClN4OS2/c18-11-5-7-12(8-6-11)19-17(24)22-21-15(23)9-10-16-20-13-3-1-2-4-14(13)25-16/h1-8H,9-10H2,(H,21,23)(H2,19,22,24)