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

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]-3-ethyl-thiourea Openeye Name: 1-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]-3-ethyl-thiourea CAS Name: 1-[[4-(1,3-benzothiazol-2-ylthio)-1-oxobutyl]amino]-3-ethylthiourea IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]-3-ethylthiourea Traditional Name: 1-[4-(1,3-benzothiazol-2-ylthio)butanoylamino]-3-ethyl-thiourea Formula: C14H18N4OS3 MolecularWeight: 354.51392

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NNC(=O)CCCSC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCNC(=S)NNC(=O)CCCSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C14H18N4OS3/c1-2-15-13(20)18-17-12(19)8-5-9-21-14-16-10-6-3-4-7-11(10)22-14/h3-4,6-7H,2,5,8-9H2,1H3,(H,17,19)(H2,15,18,20)