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

Systemtic Name: 1-[3-(1,3-benzoxazol-2-yl)propanoylamino]-3-(3-chlorophenyl)thiourea Openeye Name: 1-[3-(1,3-benzoxazol-2-yl)propanoylamino]-3-(3-chlorophenyl)thiourea CAS Name: 1-[[3-(1,3-benzoxazol-2-yl)-1-oxopropyl]amino]-3-(3-chlorophenyl)thiourea IUPAC Name: 1-[3-(1,3-benzoxazol-2-yl)propanoylamino]-3-(3-chlorophenyl)thiourea Traditional Name: 1-[3-(1,3-benzoxazol-2-yl)propanoylamino]-3-(3-chlorophenyl)thiourea Formula: C17H15ClN4O2S MolecularWeight: 374.8446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)CCC(=O)NNC(=S)NC3=CC(=CC=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)CCC(=O)NNC(=S)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H15ClN4O2S/c18-11-4-3-5-12(10-11)19-17(25)22-21-15(23)8-9-16-20-13-6-1-2-7-14(13)24-16/h1-7,10H,8-9H2,(H,21,23)(H2,19,22,25)