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

Systemtic Name: 1-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonylamino]-3-propan-2-yl-thiourea Openeye Name: 1-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]amino]-3-isopropyl-thiourea CAS Name: 1-[[[4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]-oxomethyl]amino]-3-propan-2-ylthiourea IUPAC Name: 1-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]amino]-3-propan-2-ylthiourea Traditional Name: 1-[[4-[(1,3-benzothiazol-2-ylthio)methyl]benzoyl]amino]-3-isopropyl-thiourea Formula: C19H20N4OS3 MolecularWeight: 416.5833

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4OS3/c1-12(2)20-18(25)23-22-17(24)14-9-7-13(8-10-14)11-26-19-21-15-5-3-4-6-16(15)27-19/h3-10,12H,11H2,1-2H3,(H,22,24)(H2,20,23,25)