2-diethylaminoethyl 4-[[1-cyclohexyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[[1-cyclohexyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]benzoate Openeye Name: 2-diethylaminoethyl 4-[(1-cyclohexyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]benzoate CAS Name: 4-[(1-cyclohexyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[(1-cyclohexyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoate Traditional Name: 4-[(1-cyclohexyl-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]benzoic acid 2-diethylaminoethyl ester Formula: C24H32N4O4S MolecularWeight: 472.60028

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC=C2C(=O)NC(=S)N(C2=O)C3CCCCC3

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC=C2C(=O)NC(=S)N(C2=O)C3CCCCC3

InChI

InChI=1S/C24H32N4O4S/c1-3-27(4-2)14-15-32-23(31)17-10-12-18(13-11-17)25-16-20-21(29)26-24(33)28(22(20)30)19-8-6-5-7-9-19/h10-13,16,19,25H,3-9,14-15H2,1-2H3,(H,26,29,33)