1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(2-thiophen-2-ylethyl)thiourea

Systemtic Name: 1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(2-thiophen-2-ylethyl)thiourea Openeye Name: 1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-[2-(2-thienyl)ethyl]thiourea CAS Name: 1-[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]amino]-3-(2-thiophen-2-ylethyl)thiourea IUPAC Name: 1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(2-thiophen-2-ylethyl)thiourea Traditional Name: 1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-[2-(2-thienyl)ethyl]thiourea Formula: C17H18N4OS3 MolecularWeight: 390.54602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCC(=O)NNC(=S)NCCC3=CC=CS3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCC(=O)NNC(=S)NCCC3=CC=CS3

InChI

InChI=1S/C17H18N4OS3/c22-15(7-8-16-19-13-5-1-2-6-14(13)25-16)20-21-17(23)18-10-9-12-4-3-11-24-12/h1-6,11H,7-10H2,(H,20,22)(H2,18,21,23)