(4aS)-5,11-bis(oxidanylidene)-N-prop-2-enyl-9-thiophen-3-yl-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-3-carboxamide

Systemtic Name: (4aS)-5,11-bis(oxidanylidene)-N-prop-2-enyl-9-thiophen-3-yl-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-3-carboxamide Openeye Name: (4aS)-N-allyl-5,11-dioxo-9-(3-thienyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-3-carboxamide CAS Name: (4aS)-5,11-dioxo-N-prop-2-enyl-9-(3-thiophenyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-3-carboxamide IUPAC Name: (4aS)-5,11-dioxo-N-prop-2-enyl-9-thiophen-3-yl-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-3-carboxamide Traditional Name: (4aS)-N-allyl-5,11-diketo-9-(3-thienyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-3-carboxamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)N1CCN2C(C1)C(=O)NC3=C(C2=O)C=C(C=C3)C4=CSC=C4

Isomeric SMILES

C=CCNC(=O)N1CCN2[C@@H](C1)C(=O)NC3=C(C2=O)C=C(C=C3)C4=CSC=C4

InChI

InChI=1S/C20H20N4O3S/c1-2-6-21-20(27)23-7-8-24-17(11-23)18(25)22-16-4-3-13(10-15(16)19(24)26)14-5-9-28-12-14/h2-5,9-10,12,17H,1,6-8,11H2,(H,21,27)(H,22,25)/t17-/m0/s1