[4-(5,6-dimethoxy-4-oxidanylidene-7-pentan-3-yloxy-chromen-2-yl)sulfanylphenyl] 4-[(4-methylpiperazin-1-yl)methyl]benzoate

Systemtic Name: [4-(5,6-dimethoxy-4-oxidanylidene-7-pentan-3-yloxy-chromen-2-yl)sulfanylphenyl] 4-[(4-methylpiperazin-1-yl)methyl]benzoate Openeye Name: [4-[7-(1-ethylpropoxy)-5,6-dimethoxy-4-oxo-chromen-2-yl]sulfanylphenyl] 4-[(4-methylpiperazin-1-yl)methyl]benzoate CAS Name: 4-[(4-methyl-1-piperazinyl)methyl]benzoic acid [4-[(5,6-dimethoxy-4-oxo-7-pentan-3-yloxy-1-benzopyran-2-yl)thio]phenyl] ester IUPAC Name: [4-(5,6-dimethoxy-4-oxo-7-pentan-3-yloxychromen-2-yl)sulfanylphenyl] 4-[(4-methylpiperazin-1-yl)methyl]benzoate Traditional Name: 4-[(4-methylpiperazino)methyl]benzoic acid [4-[[7-(1-ethylpropoxy)-4-keto-5,6-dimethoxy-chromen-2-yl]thio]phenyl] ester Formula: C35H40N2O7S MolecularWeight: 632.7663

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1=C(C(=C2C(=C1)OC(=CC2=O)SC3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)CN5CCN(CC5)C)OC)OC

Isomeric SMILES

CCC(CC)OC1=C(C(=C2C(=C1)OC(=CC2=O)SC3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)CN5CCN(CC5)C)OC)OC

InChI

InChI=1S/C35H40N2O7S/c1-6-25(7-2)42-30-21-29-32(34(41-5)33(30)40-4)28(38)20-31(44-29)45-27-14-12-26(13-15-27)43-35(39)24-10-8-23(9-11-24)22-37-18-16-36(3)17-19-37/h8-15,20-21,25H,6-7,16-19,22H2,1-5H3