1-butyl-3-[6-(propan-2-ylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]thiourea methanoate

Systemtic Name: 1-butyl-3-[6-(propan-2-ylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]thiourea methanoate Openeye Name: 1-butyl-3-[6-(isopropylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]thiourea formate CAS Name: 1-butyl-3-[6-(propan-2-ylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]thiourea formate IUPAC Name: 1-butyl-3-[6-(propan-2-ylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]thiourea formate Traditional Name: 1-butyl-3-[6-(isopropylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]thiourea formate Formula: C21H31N4O2S- MolecularWeight: 403.56144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=CC2=C(C=C1)NC3=C2CC(CC3)NC(C)C.C(=O)[O-]

Isomeric SMILES

CCCCNC(=S)NC1=CC2=C(C=C1)NC3=C2CC(CC3)NC(C)C.C(=O)[O-]

InChI

InChI=1S/C20H30N4S.CH2O2/c1-4-5-10-21-20(25)23-15-7-9-19-17(12-15)16-11-14(22-13(2)3)6-8-18(16)24-19;2-1-3/h7,9,12-14,22,24H,4-6,8,10-11H2,1-3H3,(H2,21,23,25);1H,(H,2,3)/p-1