8-[[3-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[3-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[1-[(9-ethylcarbazol-3-yl)carbamoyl]propylsulfanyl]phenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[3-[[1-[(9-ethyl-3-carbazolyl)amino]-1-oxobutan-2-yl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxobutan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[1-[(9-ethylcarbazol-3-yl)carbamoyl]propylthio]phenyl]carbamoyl]-1-naphthoic acid Formula: C36H31N3O4S MolecularWeight: 601.71404

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)N(C3=CC=CC=C32)CC)SC4=CC=CC(=C4)NC(=O)C5=CC=CC6=C5C(=CC=C6)C(=O)O

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)N(C3=CC=CC=C32)CC)SC4=CC=CC(=C4)NC(=O)C5=CC=CC6=C5C(=CC=C6)C(=O)O

InChI

InChI=1S/C36H31N3O4S/c1-3-32(35(41)38-24-18-19-31-29(21-24)26-14-5-6-17-30(26)39(31)4-2)44-25-13-9-12-23(20-25)37-34(40)27-15-7-10-22-11-8-16-28(33(22)27)36(42)43/h5-21,32H,3-4H2,1-2H3,(H,37,40)(H,38,41)(H,42,43)