1-[2-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]-3-(4-methyl-2-oxidanylidene-chromen-7-yl)thiourea

Systemtic Name: 1-[2-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]-3-(4-methyl-2-oxidanylidene-chromen-7-yl)thiourea Openeye Name: 1-[2-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]-3-(4-methyl-2-oxo-chromen-7-yl)thiourea CAS Name: 1-[[2-(1,3-benzothiazol-2-ylthio)-1-oxopropyl]amino]-3-(4-methyl-2-oxo-1-benzopyran-7-yl)thiourea IUPAC Name: 1-[2-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]-3-(4-methyl-2-oxochromen-7-yl)thiourea Traditional Name: 1-[2-(1,3-benzothiazol-2-ylthio)propanoylamino]-3-(2-keto-4-methyl-chromen-7-yl)thiourea Formula: C21H18N4O3S3 MolecularWeight: 470.58762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NNC(=O)C(C)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NNC(=O)C(C)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H18N4O3S3/c1-11-9-18(26)28-16-10-13(7-8-14(11)16)22-20(29)25-24-19(27)12(2)30-21-23-15-5-3-4-6-17(15)31-21/h3-10,12H,1-2H3,(H,24,27)(H2,22,25,29)