3-(3-methoxypropyl)-7-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(3-methoxypropyl)-7-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-[4-[(4-isopropylphenyl)methyl]piperazine-1-carbonyl]-3-(3-methoxypropyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-(3-methoxypropyl)-7-[oxo-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazinyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(3-methoxypropyl)-7-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-[4-(4-isopropylbenzyl)piperazine-1-carbonyl]-3-(3-methoxypropyl)-2-thioxo-1H-quinazolin-4-one Formula: C27H34N4O3S MolecularWeight: 494.64886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CCCOC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CCCOC

InChI

InChI=1S/C27H34N4O3S/c1-19(2)21-7-5-20(6-8-21)18-29-12-14-30(15-13-29)25(32)22-9-10-23-24(17-22)28-27(35)31(26(23)33)11-4-16-34-3/h5-10,17,19H,4,11-16,18H2,1-3H3,(H,28,35)