1-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonylamino]-3-methyl-thiourea

Systemtic Name: 1-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonylamino]-3-methyl-thiourea Openeye Name: 1-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]amino]-3-methyl-thiourea CAS Name: 1-[[[4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]-oxomethyl]amino]-3-methylthiourea IUPAC Name: 1-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]amino]-3-methylthiourea Traditional Name: 1-[[4-[(1,3-benzothiazol-2-ylthio)methyl]benzoyl]amino]-3-methyl-thiourea Formula: C17H16N4OS3 MolecularWeight: 388.53014

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NNC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CNC(=S)NNC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H16N4OS3/c1-18-16(23)21-20-15(22)12-8-6-11(7-9-12)10-24-17-19-13-4-2-3-5-14(13)25-17/h2-9H,10H2,1H3,(H,20,22)(H2,18,21,23)