1-cycloheptyl-3-(12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)thiourea

Systemtic Name: 1-cycloheptyl-3-(12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)thiourea Openeye Name: 1-cycloheptyl-3-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)thiourea CAS Name: 1-cycloheptyl-3-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)thiourea IUPAC Name: 1-cycloheptyl-3-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)thiourea Traditional Name: 1-cycloheptyl-3-(12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)thiourea Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=S)NC2=CC3=C(C=C2)N=C4CCCCCN4C3=O

Isomeric SMILES

C1CCCC(CC1)NC(=S)NC2=CC3=C(C=C2)N=C4CCCCCN4C3=O

InChI

InChI=1S/C21H28N4OS/c26-20-17-14-16(23-21(27)22-15-8-4-1-2-5-9-15)11-12-18(17)24-19-10-6-3-7-13-25(19)20/h11-12,14-15H,1-10,13H2,(H2,22,23,27)