methyl N'-acridin-9-yl-N,N-dipropyl-carbamimidothioate

Systemtic Name: methyl N'-acridin-9-yl-N,N-dipropyl-carbamimidothioate Openeye Name: 3-acridin-9-yl-2-methyl-1,1-dipropyl-isothiourea CAS Name: N'-(9-acridinyl)-N,N-dipropylcarbamimidothioic acid methyl ester IUPAC Name: methyl N'-acridin-9-yl-N,N-dipropylcarbamimidothioate Traditional Name: 3-acridin-9-yl-2-methyl-1,1-dipropyl-isothiourea Formula: C21H25N3S MolecularWeight: 351.5083

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=NC1=C2C=CC=CC2=NC3=CC=CC=C31)SC

Isomeric SMILES

CCCN(CCC)C(=NC1=C2C=CC=CC2=NC3=CC=CC=C31)SC

InChI

InChI=1S/C21H25N3S/c1-4-14-24(15-5-2)21(25-3)23-20-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)20/h6-13H,4-5,14-15H2,1-3H3