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

Systemtic Name: 1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-1-methyl-3-(phenylmethyl)thiourea Openeye Name: 1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-benzyl-1-methyl-thiourea CAS Name: 1-[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]amino]-1-methyl-3-(phenylmethyl)thiourea IUPAC Name: 1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-benzyl-1-methylthiourea Traditional Name: 1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-benzyl-1-methyl-thiourea Formula: C19H20N4OS2 MolecularWeight: 384.5183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NCC1=CC=CC=C1)NC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CN(C(=S)NCC1=CC=CC=C1)NC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H20N4OS2/c1-23(19(25)20-13-14-7-3-2-4-8-14)22-17(24)11-12-18-21-15-9-5-6-10-16(15)26-18/h2-10H,11-13H2,1H3,(H,20,25)(H,22,24)