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

Systemtic Name: 1-phenethyl-3-(7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-ylidene)thiourea Openeye Name: 1-phenethyl-3-(7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-ylidene)thiourea CAS Name: 1-phenethyl-3-(7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-ylidene)thiourea IUPAC Name: 1-phenethyl-3-(7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-ylidene)thiourea Traditional Name: 1-phenethyl-3-(7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-ylidene)thiourea Formula: C22H24N4S MolecularWeight: 376.51776

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=CC=CC=C3C(=NC(=S)NCCC4=CC=CC=C4)N2CC1

Isomeric SMILES

C1CCC2=NC3=CC=CC=C3C(=NC(=S)NCCC4=CC=CC=C4)N2CC1

InChI

InChI=1S/C22H24N4S/c27-22(23-15-14-17-9-3-1-4-10-17)25-21-18-11-6-7-12-19(18)24-20-13-5-2-8-16-26(20)21/h1,3-4,6-7,9-12H,2,5,8,13-16H2,(H,23,27)