N-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-4-(4-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-4-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-4-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)-4-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-4-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-4-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=NC(=S)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=NC(=S)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])CC2OC(=C1)O

InChI

InChI=1S/C21H24N4O4S/c1-14-12-20(26)29-19-13-15(2-7-18(14)19)22-21(30)24-10-8-23(9-11-24)16-3-5-17(6-4-16)25(27)28/h3-6,12,19,26H,2,7-11,13H2,1H3