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

Systemtic Name: 2-diethylaminoethyl 4-[[4,6-bis(oxidanylidene)-1,3-diphenyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]benzoate Openeye Name: 2-diethylaminoethyl 4-[(4,6-dioxo-1,3-diphenyl-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]benzoate CAS Name: 4-[(4,6-dioxo-1,3-diphenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[(4,6-dioxo-1,3-diphenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoate Traditional Name: 4-[(4,6-diketo-1,3-diphenyl-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]benzoic acid 2-diethylaminoethyl ester Formula: C30H30N4O4S MolecularWeight: 542.6486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC=C2C(=O)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC=C2C(=O)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H30N4O4S/c1-3-32(4-2)19-20-38-29(37)22-15-17-23(18-16-22)31-21-26-27(35)33(24-11-7-5-8-12-24)30(39)34(28(26)36)25-13-9-6-10-14-25/h5-18,21,31H,3-4,19-20H2,1-2H3