1-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]-3-benzyl-thiourea CAS Name: 1-[[4-(1,3-benzothiazol-2-ylthio)-1-oxobutyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]-3-benzylthiourea Traditional Name: 1-[4-(1,3-benzothiazol-2-ylthio)butanoylamino]-3-benzyl-thiourea Formula: C19H20N4OS3 MolecularWeight: 416.5833

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NNC(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NNC(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H20N4OS3/c24-17(22-23-18(25)20-13-14-7-2-1-3-8-14)11-6-12-26-19-21-15-9-4-5-10-16(15)27-19/h1-5,7-10H,6,11-13H2,(H,22,24)(H2,20,23,25)