1-phenyl-3-(11-sulfanylidene-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-6-yl)urea

Systemtic Name: 1-phenyl-3-(11-sulfanylidene-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-6-yl)urea Openeye Name: 1-phenyl-3-(11-thioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-6-yl)urea CAS Name: 1-phenyl-3-(11-sulfanylidene-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-6-yl)urea IUPAC Name: 1-phenyl-3-(11-sulfanylidene-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-6-yl)urea Traditional Name: 1-phenyl-3-(11-thioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-6-yl)urea Formula: C19H18N4OS MolecularWeight: 350.43742

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(=NC3=CC=CC=C3C(=S)N2C1)NC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CC2C(=NC3=CC=CC=C3C(=S)N2C1)NC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C19H18N4OS/c24-19(20-13-7-2-1-3-8-13)22-17-16-11-6-12-23(16)18(25)14-9-4-5-10-15(14)21-17/h1-5,7-10,16H,6,11-12H2,(H2,20,21,22,24)