[4-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-morpholin-4-yl-methanone

Systemtic Name: [4-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-morpholin-4-yl-methanone Openeye Name: [4-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]-morpholino-methanone CAS Name: [4-[4-(1,3-benzothiazol-2-ylthio)-3-nitrophenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-(4-morpholinyl)methanone IUPAC Name: [4-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-morpholin-4-ylmethanone Traditional Name: [4-[4-(1,3-benzothiazol-2-ylthio)-3-nitro-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]-morpholino-methanone Formula: C23H21N5O4S3 MolecularWeight: 527.63894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-])C(=O)N5CCOCC5

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-])C(=O)N5CCOCC5

InChI

InChI=1S/C23H21N5O4S3/c1-13-19(21(29)27-8-10-32-11-9-27)20(26-22(33)24-13)14-6-7-18(16(12-14)28(30)31)35-23-25-15-4-2-3-5-17(15)34-23/h2-7,12,20H,8-11H2,1H3,(H2,24,26,33)