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

Systemtic Name: 2-diethylaminoethyl 4-[[4,6-bis(oxidanylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]benzoate Openeye Name: 2-diethylaminoethyl 4-[(1-allyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]benzoate CAS Name: 4-[(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoate Traditional Name: 4-[(1-allyl-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]benzoic acid 2-diethylaminoethyl ester Formula: C21H26N4O4S MolecularWeight: 430.52054

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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)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4S/c1-4-11-25-19(27)17(18(26)23-21(25)30)14-22-16-9-7-15(8-10-16)20(28)29-13-12-24(5-2)6-3/h4,7-10,14,22H,1,5-6,11-13H2,2-3H3,(H,23,26,30)