[1-(3,4-dimethoxyphenyl)-5-ethyl-4,7,8-trimethyl-5,9-dihydro-2,3-benzodiazepin-2-yl] thiocyanate

Systemtic Name: [1-(3,4-dimethoxyphenyl)-5-ethyl-4,7,8-trimethyl-5,9-dihydro-2,3-benzodiazepin-2-yl] thiocyanate Openeye Name: [1-(3,4-dimethoxyphenyl)-5-ethyl-4,7,8-trimethyl-5,9-dihydro-2,3-benzodiazepin-2-yl] thiocyanate CAS Name: thiocyanic acid [1-(3,4-dimethoxyphenyl)-5-ethyl-4,7,8-trimethyl-5,9-dihydro-2,3-benzodiazepin-2-yl] ester IUPAC Name: [1-(3,4-dimethoxyphenyl)-5-ethyl-4,7,8-trimethyl-5,9-dihydro-2,3-benzodiazepin-2-yl] thiocyanate Traditional Name: thiocyanic acid [1-(3,4-dimethoxyphenyl)-5-ethyl-4,7,8-trimethyl-5,9-dihydro-2,3-benzodiazepin-2-yl] ester Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=NN(C(=C2C1=CC(=C(C2)C)C)C3=CC(=C(C=C3)OC)OC)SC#N)C

Isomeric SMILES

CCC1C(=NN(C(=C2C1=CC(=C(C2)C)C)C3=CC(=C(C=C3)OC)OC)SC#N)C

InChI

InChI=1S/C23H27N3O2S/c1-7-18-16(4)25-26(29-13-24)23(20-11-15(3)14(2)10-19(18)20)17-8-9-21(27-5)22(12-17)28-6/h8-10,12,18H,7,11H2,1-6H3