1-[3-(2-azanylethyl)-1H-indol-5-yl]-3-methyl-urea; naphthalene-2-sulfonic acid; hydrate

Systemtic Name: 1-[3-(2-azanylethyl)-1H-indol-5-yl]-3-methyl-urea; naphthalene-2-sulfonic acid; hydrate Openeye Name: 1-[3-(2-aminoethyl)-1H-indol-5-yl]-3-methyl-urea; naphthalene-2-sulfonic acid; hydrate CAS Name: 1-[3-(2-aminoethyl)-1H-indol-5-yl]-3-methylurea; 2-naphthalenesulfonic acid; hydrate IUPAC Name: 1-[3-(2-aminoethyl)-1H-indol-5-yl]-3-methylurea; naphthalene-2-sulfonic acid; hydrate Traditional Name: 1-[3-(2-aminoethyl)-1H-indol-5-yl]-3-methyl-urea; naphthalene-2-sulfonic acid; hydrate Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC1=CC2=C(C=C1)NC=C2CCN.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O.O

Isomeric SMILES

CNC(=O)NC1=CC2=C(C=C1)NC=C2CCN.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O.O

InChI

InChI=1S/C12H16N4O.C10H8O3S.H2O/c1-14-12(17)16-9-2-3-11-10(6-9)8(4-5-13)7-15-11;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;/h2-3,6-7,15H,4-5,13H2,1H3,(H2,14,16,17);1-7H,(H,11,12,13);1H2