1-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-3-(2,5-dimethoxyphenyl)thiourea

Systemtic Name: 1-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-3-(2,5-dimethoxyphenyl)thiourea Openeye Name: 1-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-3-(2,5-dimethoxyphenyl)thiourea CAS Name: 1-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-3-(2,5-dimethoxyphenyl)thiourea IUPAC Name: 1-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-3-(2,5-dimethoxyphenyl)thiourea Traditional Name: 1-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]-3-(2,5-dimethoxyphenyl)thiourea Formula: C18H18N4O3S3 MolecularWeight: 434.55552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=S)NNC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=S)NNC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H18N4O3S3/c1-24-11-7-8-14(25-2)13(9-11)19-17(26)22-21-16(23)10-27-18-20-12-5-3-4-6-15(12)28-18/h3-9H,10H2,1-2H3,(H,21,23)(H2,19,22,26)