3-[(Z)-[4-(azepan-1-yl)phenyl]methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[(Z)-[4-(azepan-1-yl)phenyl]methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[(Z)-[4-(azepan-1-yl)phenyl]methyleneamino]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[(Z)-[4-(1-azepanyl)phenyl]methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[(Z)-[4-(azepan-1-yl)phenyl]methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[(Z)-[4-(azepan-1-yl)benzylidene]amino]-2-thioxo-1H-quinazolin-4-one Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)C=NN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)/C=N\N3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C21H22N4OS/c26-20-18-7-3-4-8-19(18)23-21(27)25(20)22-15-16-9-11-17(12-10-16)24-13-5-1-2-6-14-24/h3-4,7-12,15H,1-2,5-6,13-14H2,(H,23,27)/b22-15-