(1E)-1-(2-bromanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-prop-2-enyl-thiourea

Systemtic Name: (1E)-1-(2-bromanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-prop-2-enyl-thiourea Openeye Name: (3E)-1-allyl-3-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)thiourea CAS Name: (1E)-1-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-prop-2-enylthiourea IUPAC Name: (1E)-1-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-prop-2-enylthiourea Traditional Name: (3E)-1-allyl-3-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)thiourea Formula: C17H15BrN4S MolecularWeight: 387.2968

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)N=C1C2=CC=CC=C2CN3C=C(C=CC3=N1)Br

Isomeric SMILES

C=CCNC(=S)/N=C/1\C2=CC=CC=C2CN3C=C(C=CC3=N1)Br

InChI

InChI=1S/C17H15BrN4S/c1-2-9-19-17(23)21-16-14-6-4-3-5-12(14)10-22-11-13(18)7-8-15(22)20-16/h2-8,11H,1,9-10H2,(H,19,23)/b21-16+