[1-[(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-1-oxidanylidene-butan-2-yl] 3-azanylbenzoate

Systemtic Name: [1-[(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-1-oxidanylidene-butan-2-yl] 3-azanylbenzoate Openeye Name: 1-[(3-cyano-4,5-dihydrobenzo[g]benzothiophen-2-yl)carbamoyl]propyl 3-aminobenzoate CAS Name: 3-aminobenzoic acid [1-[(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-1-oxobutan-2-yl] 3-aminobenzoate Traditional Name: 3-aminobenzoic acid 1-[(3-cyano-4,5-dihydrobenzo[g]benzothiophen-2-yl)carbamoyl]propyl ester Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)C3=CC=CC=C3CC2)C#N)OC(=O)C4=CC(=CC=C4)N

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)C3=CC=CC=C3CC2)C#N)OC(=O)C4=CC(=CC=C4)N

InChI

InChI=1S/C24H21N3O3S/c1-2-20(30-24(29)15-7-5-8-16(26)12-15)22(28)27-23-19(13-25)18-11-10-14-6-3-4-9-17(14)21(18)31-23/h3-9,12,20H,2,10-11,26H2,1H3,(H,27,28)