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

Systemtic Name: 1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(3-methylbutyl)thiourea Openeye Name: 1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-isopentyl-thiourea CAS Name: 1-[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]amino]-3-(3-methylbutyl)thiourea IUPAC Name: 1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(3-methylbutyl)thiourea Traditional Name: 1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-isoamyl-thiourea Formula: C16H22N4OS2 MolecularWeight: 350.50208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=O)CCC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)CCNC(=S)NNC(=O)CCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C16H22N4OS2/c1-11(2)9-10-17-16(22)20-19-14(21)7-8-15-18-12-5-3-4-6-13(12)23-15/h3-6,11H,7-10H2,1-2H3,(H,19,21)(H2,17,20,22)